3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium

Systemtic Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium Openeye Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium CAS Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium IUPAC Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium Traditional Name: 3,3-dicyclohexyl-2H-1,3-benzothiazol-3-ium Formula: C19H28NS+ MolecularWeight: 302.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(CSC3=CC=CC=C32)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)[N+]2(CSC3=CC=CC=C32)C4CCCCC4

InChI

InChI=1S/C19H28NS/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)15-21-19-14-8-7-13-18(19)20/h7-8,13-14,16-17H,1-6,9-12,15H2/q+1